Diamyl sulfide

Base Information

• Chemical Name: Diamyl sulfide
• CAS No.: 872-10-6
• Molecular Formula: C10H22S
• Molecular Weight: 174.351
• Hs Code.: 2930909090
• European Community (EC) Number: 212-820-8
• UN Number: 1993
• UNII: 61XJN3644R
• DSSTox Substance ID: DTXSID8042266
• Nikkaji Number: J44.107D
• Wikidata: Q27263394
• ChEMBL ID: CHEMBL3184537
• Mol file: 872-10-6.mol

Synonyms:Diamyl sulfide;872-10-6;Pentyl sulfide;Amyl sulfide;n-Amyl sulfide;Pentane, 1,1'-thiobis-;Di-n-pentyl sulfide;Dipentyl sulphide;dipentylsulfane;Dipentyl sulfide;1-pentylsulfanylpentane;6-Thiaundecane;UNII-61XJN3644R;DTXSID8042266;61XJN3644R;EINECS 212-820-8;AI3-01368;Di-n-pentyl sulphide;N-AMYLSULFIDE;1-(Pentylsulfanyl)pentane;Diamylsulfid;Diamyl sulphide;di-n-Amyl sulfide;1,1'-Thiobispentane;di(1-pentyl) sulfide;DIPENTYL THIOETHER;Pentano, 1-(pentiltio)-;1-(Pentylsulfanyl)pentane #;SCHEMBL226036;CHEMBL3184537;DTXCID6022266;JOZDADPMWLVEJK-UHFFFAOYSA-;PENTANE, 1-(PENTYLTHIO)-;Tox21_301954;MFCD00027275;AKOS006228806;NCGC00255753-01;CAS-872-10-6;A0673;CS-0361300;FT-0625196;D88303;Q27263394

Chemical Property of Diamyl sulfide

Chemical Property:

• Vapor Pressure: 0.108mmHg at 25°C
• Melting Point: -51°C
• Refractive Index: 1.4560
• Boiling Point: 228.9 °C at 760 mmHg
• Flash Point: 97.3 °C
• PSA: 25.30000
• Density: 0.839 g/cm³
• LogP: 4.10000
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 174.14422188
• Heavy Atom Count: 11
• Complexity: 53.9
• Transport DOT Label: Combustible Liquid

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-AmylSulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCSCCCCC

Technology Process of Diamyl sulfide

There total 18 articles about Diamyl sulfide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

1-Bromopentane (110-53-2) → diamyl sulfide (872-10-6)

Guidance literature:

With S₂^(1-);

-(CH2)3-⁺PBu3; In water; at 110 ℃; for 1.5h;

DOI:10.1021/jo01302a035

Reference yield: 78.0%

dipentyl sulphoxide (1986-90-9) → diamyl sulfide (872-10-6)

Guidance literature:

With trifluoro-[1,3,5]triazine; In 1,4-dioxane; for 9h;

DOI:10.1055/s-1980-28973

Reference yield: 62.0%

1-penten (109-67-1) + disulfane (23550-45-0) → diamyl sulfide (872-10-6) + diamyl disulfide (112-51-6) + dipentyl tetrasulfide (13730-37-5) + hydrogen sulfide (7783-06-4)

Guidance literature:

50°C; 15 h;

upstream raw materials:

tetrachloromethane

n-pentanethiol

1-Bromopentane

amyl iodide

Downstream raw materials:

dipentyl sulphoxide

pentyl phenyl sulfide

C₅H₁₂

FeSH^(1-)

Refernces

• 1、 Nedugov, A. N.,Pavlova, N. N.. "BIS(BROMOMAGNESIUM) SULFIDE - A REAGENT FOR THE SYNTHESIS OF DIORGANIC SULFIDES". . p. 1103 - 1104. Retrieved 2007/10/02.
• 2、 Cerny, Mirko. "FORMATION OF SULFUR COMPOUNDS IN THE HYDRODENITROGENATION OF PIPERIDINE, PYRIDINE, 1-PENTYLAMINE AND 1-PENT-4-ENYLAMINE ON A NICKEL-TUNGSTEN CATALYST IN THE PRESENCE OF HYDROGEN SULFIDE". . p. 928 - 935. Retrieved 2007/10/02.